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130413-80-8 | L-Cysteine, N-(3,7,11,15-tetramethyl-1-oxo-2,6,10,14-hexadecatetraenyl)-, methyl ester, (E,E,E)- (9CI)
CAS No: 130413-80-8 Catalog No: AG000UE5 MDL No:
Product Description
Catalog Number:
AG000UE5
Chemical Name:
L-Cysteine, N-(3,7,11,15-tetramethyl-1-oxo-2,6,10,14-hexadecatetraenyl)-, methyl ester, (E,E,E)- (9CI)
CAS Number:
130413-80-8
Molecular Formula:
C24H39NO3S
Molecular Weight:
421.6364
IUPAC Name:
methyl (2R)-3-sulfanyl-2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenylamino)propanoate
InChI:
InChI=1S/C24H41NO2S/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)16-17-25-23(18-28)24(26)27-6/h10,12,14,16,23,25,28H,7-9,11,13,15,17-18H2,1-6H3/t23-/m0/s1
InChI Key:
DZBXVEFWIOGQKQ-QHCPKHFHSA-N
SMILES:
SC[C@@H](C(=O)OC)NC(=O)/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
407.286g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
407.657g/mol
Monoisotopic Mass:
407.286g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
7.1
Literature
| Title | Journal |
|---|---|
| Host-mediated post-translational prenylation of novel dot/icm-translocated effectors of legionella pneumophila. | Frontiers in microbiology 20100101 |
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